3-(1-benzofuran-4-yl)-N-[bis(azanyl)methylidene]-5-(hydroxymethyl)benzamide; methanesulfonate

Systemtic Name: 3-(1-benzofuran-4-yl)-N-[bis(azanyl)methylidene]-5-(hydroxymethyl)benzamide; methanesulfonate Openeye Name: 3-(benzofuran-4-yl)-N-(diaminomethylene)-5-(hydroxymethyl)benzamide; methanesulfonate CAS Name: 3-(4-benzofuranyl)-N-(diaminomethylidene)-5-(hydroxymethyl)benzamide; methanesulfonate IUPAC Name: 3-(1-benzofuran-4-yl)-N-(diaminomethylidene)-5-(hydroxymethyl)benzamide; methanesulfonate Traditional Name: 3-(benzofuran-4-yl)-N-(diaminomethylene)-5-methylol-benzamide mesylate Formula: C18H18N3O6S- MolecularWeight: 404.41702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=C2C=COC2=C1)C3=CC(=CC(=C3)CO)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=C2C=COC2=C1)C3=CC(=CC(=C3)CO)C(=O)N=C(N)N

InChI

InChI=1S/C17H15N3O3.CH4O3S/c18-17(19)20-16(22)12-7-10(9-21)6-11(8-12)13-2-1-3-15-14(13)4-5-23-15;1-5(2,3)4/h1-8,21H,9H2,(H4,18,19,20,22);1H3,(H,2,3,4)/p-1